3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide

C10H17N3 — CID 175627382

IUPAC3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide
SMILESC/N=C(\C=CN)NC1=CCCCC1
InChIInChI=1S/C10H17N3/c1-12-10(7-8-11)13-9-5-3-2-4-6-9/h5,7-8H,2-4,6,11H2,1H3,(H,12,13)
InChIKeyQWKWWYIKNNBAPQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.53
Rot. Bonds2

About 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide

3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide (PubChem CID 175627382) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide
PubChem CID175627382
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide
SMILESC/N=C(\C=CN)NC1=CCCCC1
InChIInChI=1S/C10H17N3/c1-12-10(7-8-11)13-9-5-3-2-4-6-9/h5,7-8H,2-4,6,11H2,1H3,(H,12,13)
InChIKeyQWKWWYIKNNBAPQ-UHFFFAOYSA-N
XLogP1.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cycloocten-1-ylurea
CID 154107907
1,2-di(cyclohexen-1-yl)hydrazine
CID 162410635
2-chloro-N-(cyclohexen-1-yl)acetamide
CID 22251791
N-ethenylcyclohexen-1-amine
CID 67050822
1-(cyclohepten-1-yl)-2-methylhydrazine
CID 19049041
N-(cyclopenten-1-yl)prop-2-enamide
CID 130013506
(1E)-N-ethenylcycloocten-1-amine
CID 67050808
2-(cyclohexen-1-ylamino)ethanol
CID 54095999
1-(cyclohexen-1-yl)-3-methylurea;O-methyl N-(dimethylaminomethylidene)carbamothioate
CID 173452798
N-(cyclopenten-1-yl)but-2-ynamide
CID 140985868
1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
methyl N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 135002029

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide?
The IUPAC name of 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide (CID 175627382) is 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide.
What is the SMILES notation for 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide?
The canonical SMILES for 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide is C/N=C(\C=CN)NC1=CCCCC1.
What is the InChIKey of 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide?
The InChIKey is QWKWWYIKNNBAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-10(7-8-11)13-9-5-3-2-4-6-9/h5,7-8H,2-4,6,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide?
3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexen-1-yl)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 175627382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).